3-[[1-(4-bromophenyl)propylamino]methyl]cyclohexan-1-ol

C16H24BrNO — CID 103785944

IUPAC3-[[1-(4-bromophenyl)propylamino]methyl]cyclohexan-1-ol
SMILESCCC(NCC1CCCC(O)C1)c1ccc(Br)cc1
InChIInChI=1S/C16H24BrNO/c1-2-16(13-6-8-14(17)9-7-13)18-11-12-4-3-5-15(19)10-12/h6-9,12,15-16,18-19H,2-5,10-11H2,1H3
InChIKeyWDLFZZNXDFWYTR-UHFFFAOYSA-N
MW326.28 g/mol
LogP4.04
Rot. Bonds5

About 3-[[1-(4-bromophenyl)propylamino]methyl]cyclohexan-1-ol

3-[[1-(4-bromophenyl)propylamino]methyl]cyclohexan-1-ol (PubChem CID 103785944) has the molecular formula C16H24BrNO and a molecular weight of 326.28 g/mol. Its IUPAC name is 3-[[1-(4-bromophenyl)propylamino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name3-[[1-(4-bromophenyl)propylamino]methyl]cyclohexan-1-ol
PubChem CID103785944
Molecular FormulaC16H24BrNO
Molecular Weight326.28 g/mol
Exact Mass325.10
IUPAC Name3-[[1-(4-bromophenyl)propylamino]methyl]cyclohexan-1-ol
SMILESCCC(NCC1CCCC(O)C1)c1ccc(Br)cc1
InChIInChI=1S/C16H24BrNO/c1-2-16(13-6-8-14(17)9-7-13)18-11-12-4-3-5-15(19)10-12/h6-9,12,15-16,18-19H,2-5,10-11H2,1H3
InChIKeyWDLFZZNXDFWYTR-UHFFFAOYSA-N
XLogP4.04
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.28
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[1-(4-ethylphenyl)propylamino]methyl]cyclohexan-1-ol
CID 103785864
3-[[1-(4-ethylphenyl)propylamino]methyl]cyclopentan-1-ol
CID 103271372
4-bromo-2-[1-[(3-hydroxycyclopentyl)methylamino]propyl]phenol
CID 103271351
3-[[1-(3-nitrophenyl)propylamino]methyl]cyclohexan-1-ol
CID 103785906
1-(4-bromophenyl)-N-(piperidin-2-ylmethyl)propan-1-amine
CID 106633301
(1S)-1-(4-bromophenyl)-N-[(3-methylcyclohexyl)methyl]ethanamine
CID 81359380
3-[[1-(3,4-dimethylphenyl)ethylamino]methyl]cyclohexan-1-ol
CID 103785848
cis-(1S,3R)-3-[[[(1S)-1-(5-bromothiophen-2-yl)ethyl]amino]methyl]cyclohexan-1-ol
CID 97322838
N-[(1R)-1-(4-bromophenyl)propyl]cyclopropanamine
CID 30081048
3-[[1-(4-propoxyphenyl)ethylamino]methyl]cyclohexan-1-ol
CID 103785946
3-[1-(4-bromophenyl)ethylamino]cyclohexan-1-ol
CID 43751203
(1S)-1-(4-bromophenyl)-N-(cyclopentylmethyl)ethanamine
CID 81355288

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(4-bromophenyl)propylamino]methyl]cyclohexan-1-ol?
The IUPAC name of 3-[[1-(4-bromophenyl)propylamino]methyl]cyclohexan-1-ol (CID 103785944) is 3-[[1-(4-bromophenyl)propylamino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 3-[[1-(4-bromophenyl)propylamino]methyl]cyclohexan-1-ol?
The canonical SMILES for 3-[[1-(4-bromophenyl)propylamino]methyl]cyclohexan-1-ol is CCC(NCC1CCCC(O)C1)c1ccc(Br)cc1.
What is the InChIKey of 3-[[1-(4-bromophenyl)propylamino]methyl]cyclohexan-1-ol?
The InChIKey is WDLFZZNXDFWYTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrNO/c1-2-16(13-6-8-14(17)9-7-13)18-11-12-4-3-5-15(19)10-12/h6-9,12,15-16,18-19H,2-5,10-11H2,1H3.
What are the key properties of 3-[[1-(4-bromophenyl)propylamino]methyl]cyclohexan-1-ol?
3-[[1-(4-bromophenyl)propylamino]methyl]cyclohexan-1-ol has a molecular weight of 326.28 g/mol, XLogP of 4.04, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(4-bromophenyl)propylamino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 103785944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).